CID 11736661

L-glutaminyl-l-proline

Structural Information

Molecular Formula
C10H17N3O4
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)N)C(=O)O
InChI
InChI=1S/C10H17N3O4/c11-6(3-4-8(12)14)9(15)13-5-1-2-7(13)10(16)17/h6-7H,1-5,11H2,(H2,12,14)(H,16,17)/t6-,7-/m0/s1
InChIKey
NJMYZEJORPYOTO-BQBZGAKWSA-N
Compound name
(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2015
Patents

243.1219 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12918 155.9
[M+Na]+ 266.11112 158.9
[M-H]- 242.11462 155.2
[M+NH4]+ 261.15572 171.2
[M+K]+ 282.08506 158.3
[M+H-H2O]+ 226.11916 148.9
[M+HCOO]- 288.12010 173.3
[M+CH3COO]- 302.13575 194.2
[M+Na-2H]- 264.09657 152.2
[M]+ 243.12135 150.4
[M]- 243.12245 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe